Geometry & MOs

Info

ID:

120193

PubChem CID:

50717561

Reduced:

Cl2O5N6C34H46 (1)

Stoich.:

A2B5C6D34E46 (1)

Weight, g/mol:

714.306324

ΔHf, kcal/mol:

-236.84

Dipole, Da:

5.85

IP(EA), eV:

 -8.66(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl)Cl

DOS

IR

Vibrations